SCHEMBL8559212

SCHEMBL8559212

CCCC[N+](C)(C)Cc1ccc2ccccc2c1-c1c(C[N+](C)(C)CCCC)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 6/20 0.44
RAD52 P43351 2/20 0.36
PSMD14 O00487 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
MC4R P32245 1/20 0.36
GAA P10253 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8599722 0.87 HTT (0.36) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8560261 0.85 MAPT (0.39) MAPK1ALDH1A1TDP1MAPTLMNA
SCHEMBL8557802 0.81 DNM1 (0.44) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8559161 0.81 DNM1 (0.44) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8555160 0.80 MAPT (0.38) ALDH1A1TDP1MAPTCYP1A2CYP2D6
SCHEMBL8083797 0.79 DNM1 (0.57) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL6762129 0.79 DNM1 (0.57) DNM1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL7775007 0.79 MAPT (0.42) MEN1KMT2AMAPK1TP53KDM4E
Hydrochloric Acid SCHEMBL29729671 0.78 MEN1 (0.58) DNM1MEN1KMT2ASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1123490 0.78 MEN1 (0.58) DNM1MEN1KMT2ASMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685456-B1 Bisquaternary ammonium derivatives of 2,2'-dimethyl-1,1'binaphtyl and process for their preparation HOECHST AG (DE) 1998-04-15 EP claimed
US-5599989-A Bisquaternary ammonium compounds of 2,2'-dimethyl-1,1'-binaphythyl and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-04 US claimed
US-5599989-A Bisquaternary ammonium compounds of 2,2'-dimethyl-1,1'-binaphythyl and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed